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methyl 3-chlorobenzoate

methyl 3-chlorobenzoate

CAS: 2905-65-9

Formula: C8H7ClO2

SMILES: COC(=O)C1=CC=CC(Cl)=C1

IUPAC: methyl 3-chlorobenzoate

InChI: InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3

Composition: C (56.33%), H (4.14%), Cl (20.78%), O (18.76%)

Molar Mass: 170.59

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 170.0134572
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XRDRKVPNHIWTBX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.89
Topological Polar Surface Area 26.3
Polarizability 16.64
Ring Count 1
Rotatable Bond Count 2

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